ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C14H14ClNO3S2 — CID 4559395

IUPACethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc(C)c1C
InChIInChI=1S/C14H14ClNO3S2/c1-4-19-14(18)11-7(2)8(3)20-13(11)16-12(17)9-5-6-10(15)21-9/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyPGFDRDAQTRQOFS-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.51
Rot. Bonds4

About ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 4559395) has the molecular formula C14H14ClNO3S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID4559395
Molecular FormulaC14H14ClNO3S2
Molecular Weight343.86 g/mol
Exact Mass343.01
IUPAC Nameethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc(C)c1C
InChIInChI=1S/C14H14ClNO3S2/c1-4-19-14(18)11-7(2)8(3)20-13(11)16-12(17)9-5-6-10(15)21-9/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyPGFDRDAQTRQOFS-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 4559395) is ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc(C)c1C.
What is the InChIKey of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is PGFDRDAQTRQOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S2/c1-4-19-14(18)11-7(2)8(3)20-13(11)16-12(17)9-5-6-10(15)21-9/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 343.86 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 4559395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).